N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C20H21F3N2O — CID 42825254

IUPACN-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CNCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O/c1-25(13-14-6-3-2-4-7-14)19(26)18-12-24-11-17(18)15-8-5-9-16(10-15)20(21,22)23/h2-10,17-18,24H,11-13H2,1H3
InChIKeySNWHAPDWWIQQTF-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.67
Rot. Bonds4

About N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 42825254) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID42825254
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CNCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O/c1-25(13-14-6-3-2-4-7-14)19(26)18-12-24-11-17(18)15-8-5-9-16(10-15)20(21,22)23/h2-10,17-18,24H,11-13H2,1H3
InChIKeySNWHAPDWWIQQTF-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825255
(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 87762016
(3S,4S)-N-benzyl-N,4-dimethylpyrrolidine-3-carboxamide
CID 98541238
N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825250
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42680057
4-[3-(2,2-dimethylpropyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134694800
1-benzoyl-N-ethyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680419
[4-(2-methylphenyl)piperazin-1-yl]-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42825253
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 51274161
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenyl-1-(piperidine-4-carbonyl)piperidine-4-carboxamide
CID 87728828
(2R)-N-methyl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 146122046

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 42825254) is N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CNCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is SNWHAPDWWIQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-25(13-14-6-3-2-4-7-14)19(26)18-12-24-11-17(18)15-8-5-9-16(10-15)20(21,22)23/h2-10,17-18,24H,11-13H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42825254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).